N-[(2S)-3-[4-[5-(6-cyclopentyloxy-5-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide

C27H34N4O6 — CID 127046549

About N-[(2S)-3-[4-[5-(6-cyclopentyloxy-5-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide

N-[(2S)-3-[4-[5-(6-cyclopentyloxy-5-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide (PubChem CID 127046549) has the molecular formula C27H34N4O6 and a molecular weight of 510.59 g/mol. Its IUPAC name is N-[(2S)-3-[4-[5-(6-cyclopentyloxy-5-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide.

Molecular Properties

• Compound Name: N-[(2S)-3-[4-[5-(6-cyclopentyloxy-5-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
• PubChem CID: 127046549
• Molecular Formula: C27H34N4O6
• Molecular Weight: 510.59 g/mol
• Exact Mass: 510.25
• IUPAC Name: N-[(2S)-3-[4-[5-(6-cyclopentyloxy-5-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
• SMILES: CCc1cc(-c2noc(-c3cnc(OC4CCCC4)c(C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO
• InChI: InChI=1S/C27H34N4O6/c1-4-18-11-19(9-16(2)24(18)35-15-21(33)13-28-23(34)14-32)25-30-27(37-31-25)20-10-17(3)26(29-12-20)36-22-7-5-6-8-22/h9-12,21-22,32-33H,4-8,13-15H2,1-3H3,(H,28,34)/t21-/m0/s1
• InChIKey: IABDIHCNAKYPIE-NRFANRHFSA-N
• XLogP: 3.15
• TPSA: 139.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.59
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-[4-[5-(6-cyclopentyloxy-5-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide?

The IUPAC name of N-[(2S)-3-[4-[5-(6-cyclopentyloxy-5-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide (CID 127046549) is N-[(2S)-3-[4-[5-(6-cyclopentyloxy-5-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide.

What is the SMILES notation for N-[(2S)-3-[4-[5-(6-cyclopentyloxy-5-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide?

The canonical SMILES for N-[(2S)-3-[4-[5-(6-cyclopentyloxy-5-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide is CCc1cc(-c2noc(-c3cnc(OC4CCCC4)c(C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO.

What is the InChIKey of N-[(2S)-3-[4-[5-(6-cyclopentyloxy-5-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide?

The InChIKey is IABDIHCNAKYPIE-NRFANRHFSA-N. The full InChI is InChI=1S/C27H34N4O6/c1-4-18-11-19(9-16(2)24(18)35-15-21(33)13-28-23(34)14-32)25-30-27(37-31-25)20-10-17(3)26(29-12-20)36-22-7-5-6-8-22/h9-12,21-22,32-33H,4-8,13-15H2,1-3H3,(H,28,34)/t21-/m0/s1.

What are the key properties of N-[(2S)-3-[4-[5-(6-cyclopentyloxy-5-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide?

N-[(2S)-3-[4-[5-(6-cyclopentyloxy-5-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide has a molecular weight of 510.59 g/mol, XLogP of 3.15, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-3-[4-[5-(6-cyclopentyloxy-5-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide is sourced from PubChem (CID 127046549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).